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DocumentationIdentifier: MM159894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159894 |
| SMILES |
CC(F)C(C)C(C)CF
|
| InChIKey |
LXSIIYSNBDBWMH-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM387811
Similarity: 0.85
Similarity to MM387811
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 150.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253764
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| Tanimoto metric | 0.8293 |
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| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 150.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387813
Similarity: 0.7907
Similarity to MM387813
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 154.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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